Nandhini Mariyappan

5 Questions 6 Answers 0 Followers

Questions related from Nandhini Mariyappan

Intramolecular Photo-induced electron transfer?

How to perform Photinduced Electron Transfer (PET) Study using Guassian 09? please give me a suggestions. Thanks in advance

04 March 2024 4,862 5 View

PET, PCT and NCI analysis in gaussian?

currently, I am working on a computational method of drug delivery system using Gaussian 09. I want to study PET, PCT, and NCI analysis complex systems. let me know the protocol and procedure of...

04 September 2023 9,375 2 View

Basis set explanation

b3lyp/6-31+g(d) can you explain this basis set function? +and g(d) both represent diffusion function? Thanks in advance

01 January 1970 3,241 3 View

Reaction Mechanism Computational research

I am a beginner in reaction mechanism research. I want to do reaction mechanisms for proteins and ligands. can you give me suggestions on how to start? suggest the best book for the reaction...

01 January 1970 2,356 4 View

Charmm ff ligand itp error

ERROR 1 [file lig.itp, line 363]: No default Proper Dih. types ERROR 2 [file lig.itp, line 370]: No default Proper Dih. types ERROR 3 [file lig.itp, line 390]: No default Proper Dih....

01 January 1970 3,708 0 View